Cotylenin A
TL;DR: Cotylenin A (CAS 12708-37-1) is a chemical compound with molecular formula C33H50O11 and molecular weight 622.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2E,4R,7S,8R,9R,10R)-10-[[(1R,4S,9S)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-(oxiran-2-yl)-3,7,10,11-tetraoxatricyclo[6.2.1.01,6]undecan-4-yl]oxy]-4-(methoxymethyl)-1,8-dimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradeca-2,11-diene-4,9-diol
Also Known As: COTYLENIN A, COTYLENIN-A, SID:53789588, Dicyclopenta(a,d)cyclooctene-1,5-diol, 1,2,3,3a,4,5,6,8,9,9a-decahydro-1-(methoxymethyl)-4-methyl-7-(1-methylethyl)-6-(((2S,3S,4aS,5R,7S,8R,8aR)-tetrahydro-8-hydroxy-5-(methoxymethyl)-3-methyl-3-((2S)-oxiranyl)-7H-2,4a-epoxy-5H-pyrano(3,4-b)-1,4-dioxin-7-yl)oxy)-, (1R,3aS,4R,5R,6R,9aR)-, (1R,2E,4R,7S,8R,9R,10R)-10-[[(1R,4S,9S)-5-Hydroxy-2-(methoxymethyl)-9-methyl-9-(oxiran-2-yl)-3,7,10,11-tetraoxatricyclo[6.2.1.01,6]undecan-4-yl]oxy]-4-(methoxymethyl)-1,8-dimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradeca-2,11-diene-4,9-diol
| Molecular Formula | C33H50O11 |
|---|---|
| Molecular Weight | 622.34 g/mol |
| LogP | 2.2065 |
| Topological Polar Surface Area | 137.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 622.3353 |
| Heavy Atoms | 44 |
| Complexity | 1200.1149 |
Chemical Identifiers
| CAS Number | 12708-37-1 |
|---|---|
| SMILES | C[C@@H]1[C@@H]\2CC[C@@](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4C(C5[C@@]6(C(O4)COC)OC(O5)[C@](O6)(C)C7CO7)O)C(C)C)C)(COC)O |
Product Overview
Cotylenin A (CAS 12708-37-1), with molecular formula C33H50O11 and molecular weight 622.34 g/mol. IUPAC: (1R,2E,4R,7S,8R,9R,10R)-10-[[(1R,4S,9S)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-(oxiran-2-yl)-3,7,10,11-tetraoxatricyclo[6.2.1.01,6]undecan-4-yl]oxy]-4-(methoxymethyl)-1,8-dimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradeca-2,11-diene-4,9-diol.
Chemical Property Profile of Cotylenin A
Property Insights of Cotylenin A
The XLogP value of 2.2065 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cotylenin A. The TPSA of 137.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Cotylenin A. Following Lipinski's Rule of Five, Cotylenin A has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cotylenin A?
The CAS number of Cotylenin A is 12708-37-1.
What is the molecular formula of Cotylenin A?
The molecular formula of Cotylenin A is C33H50O11.
What is the molecular weight of Cotylenin A?
The molecular weight of Cotylenin A is 622.34 g/mol.
Where can I buy Cotylenin A?
You can request a quote for Cotylenin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cotylenin A?
Yes, KEHONG BIO provides custom synthesis services for Cotylenin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.